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CAS 14034-99-2

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4-Bromo-2-(1,1-dimethylethyl)benzoic acid

Description:
4-Bromo-2-(1,1-dimethylethyl)benzoic acid is an aromatic carboxylic acid characterized by the presence of a bromine substituent and a tert-butyl group on the benzene ring. The molecular structure features a bromine atom at the para position relative to the carboxylic acid group, and a bulky tert-butyl group at the ortho position. This configuration influences its physical and chemical properties, such as solubility and reactivity. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents while being less soluble in water due to its hydrophobic tert-butyl group. It is often used in organic synthesis and as an intermediate in the production of various pharmaceuticals and agrochemicals. The presence of the bromine atom can also enhance its reactivity in electrophilic substitution reactions. Safety data should be consulted for handling, as with many brominated compounds, it may pose environmental and health risks.
Formula:C11H13BrO2
InChI:InChI=1S/C11H13BrO2/c1-11(2,3)9-6-7(12)4-5-8(9)10(13)14/h4-6H,1-3H3,(H,13,14)
InChI key:InChIKey=UXDSSKSOCWZAES-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1=C(C(O)=O)C=CC(Br)=C1
Synonyms:
  • 4-Bromo-2-(1,1-dimethylethyl)benzoic acid
  • Benzoic acid, 4-bromo-2-(1,1-dimethylethyl)-
  • Benzoic acid, 4-bromo-2-tert-butyl-
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